2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine

C11H15F2N3 — CID 154754503

IUPAC2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine
SMILESCC1CCN(Cc2ncccn2)CC1(F)F
InChIInChI=1S/C11H15F2N3/c1-9-3-6-16(8-11(9,12)13)7-10-14-4-2-5-15-10/h2,4-5,9H,3,6-8H2,1H3
InChIKeyUCECSRWPCZQOIX-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.95
Rot. Bonds2

About 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine

2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine (PubChem CID 154754503) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine
PubChem CID154754503
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine
SMILESCC1CCN(Cc2ncccn2)CC1(F)F
InChIInChI=1S/C11H15F2N3/c1-9-3-6-16(8-11(9,12)13)7-10-14-4-2-5-15-10/h2,4-5,9H,3,6-8H2,1H3
InChIKeyUCECSRWPCZQOIX-UHFFFAOYSA-N
XLogP1.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Piperidin-1-yl)pyrimidine
CID 11446518
2-[4-(4-Methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 784284
2-(4-Methylpiperazin-1-yl)pyrimidine
CID 10329895
1-(2-Pyrimidinyl)-4-piperidinemethanamine
CID 10631607
4-(4'-Methylpiperazinyl)pyrimidine
CID 53723564
2-Chloro-4-(4-methylpiperidin-1-yl)pyrimidine
CID 21939227
2-[4-(3-Methylcyclopentyl)piperazin-1-yl]pyrimidine
CID 2845194
2-(4,4-Dimethylpiperazin-4-ium-1-yl)pyrimidine iodide
CID 11034544
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 71691577
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine
CID 71978664
4-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 72915735
1-Ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 118742701

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine (CID 154754503) is 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine is CC1CCN(Cc2ncccn2)CC1(F)F.
What is the InChIKey of 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine?
The InChIKey is UCECSRWPCZQOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-9-3-6-16(8-11(9,12)13)7-10-14-4-2-5-15-10/h2,4-5,9H,3,6-8H2,1H3.
What are the key properties of 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine?
2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine has a molecular weight of 227.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 154754503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).